MAYBRIDGE-ZINC01043492
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3770    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -0.3980   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1100    0.6880   -0.0140 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3370    1.7970   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.1120    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0150    4.2200    0.0150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7740    5.2600    0.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0700    4.8580   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    3.5120   -0.0040 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450    5.8780   -0.0110 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8100   -1.7990   -0.0240 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9440   -2.7910   -0.0210 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020   -2.0520   -0.0380 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8900    2.0120    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8590   -0.6560    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560    6.0170    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END